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Structure and Reactivity of an Allylpalladium N-Heterocyclic Carbene Enolate Complex

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NIAID Data Ecosystem2026-03-06 收录
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https://figshare.com/articles/dataset/Structure_and_Reactivity_of_an_Allylpalladium_N_Heterocyclic_Carbene_Enolate_Complex/3336754
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A novel anionic N-heterocyclic carbene was prepared and ligated to [Pd(allyl)Cl]2 to yield the complex (NHC-enolate)Pd(allyl). At elevated temperatures in acetonitrile, the allyl ligand undergoes a stereoselective η3−η1−η3 isomerization in an associative process that is first order in CD3CN with ΔH⧧ = 13.5 ± 0.7 kcal mol-1 and ΔS⧧ = −17 ± 2 eu. This complex reacts with electrophiles (HCl, CH3I) at the enolate position.
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2016-05-07
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